²é¿´: 2662  |  »Ø¸´: 6
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

zhouxiaodi

гæ (³õÈëÎÄ̳)

[½»Á÷] ¡¾ÇóÖú¡¿chem3dÖÐMOPACÓнçÃæµã»÷ÎÞ·´Ó¦Ôõô»ØÊ ÒÑÓÐ6È˲ÎÓë

ÈçÌ⣬ÎÒ°´ÕÕÍøÉÏÇ¿ÈË·¢ÏÖµÄchemofficeʹÓÃmopacµÄ·½·¨ÏÂÔØ²¢×¢²áÁËmopac£¬ÔÚchem3dÖÐÒ²³öÏÖÁËmopacµÄ½çÃæ£¬Èçͼ

µ«Õý³£Ê¹ÓÃÁËÒ»´ÎÖ®ºó£¬mopac¾ÍûÓз´Ó¦ÁË£¬µã»÷ËùÓÐÏîÄ¿µÄRUN¶¼Ã»Óз´Ó¦£¬¶øÇÒ֨װchemofficeҲûÓã¬ÎÒÓõÄÊÇv11.01ºÍv12°æµÄ£¬°´ÍøÉϵÄ˵·¨£¬ÕâÁ½¸ö°æ±¾Ó¦¸ÃÊÇûÓÐÎÊÌâµÄ¡£ÓÐûÓÐÄÇλÈÊÐÖÓÐÀàËÆ¾­Ñé½»Á÷һϣ¿
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

w435988

½ð³æ (ÕýʽдÊÖ)

ÒýÓûØÌû:
Originally posted by zhouxiaodi at 2010-05-04 14:45:19:
ÈçÌ⣬ÎÒ°´ÕÕÍøÉÏÇ¿ÈË·¢ÏÖµÄchemofficeʹÓÃmopacµÄ·½·¨ÏÂÔØ²¢×¢²áÁËmopac£¬ÔÚchem3dÖÐÒ²³öÏÖÁËmopacµÄ½çÃæ£¬Èçͼ
[IMG]http://image161.poco.cn/mypoco/myphoto/20100504/14/5521552720100504144401042.jpg[/IMG ...

Â¥Ö÷ÊÇÔõô°ÑmopacŪ½øÈ¥µÄ°¡£¬¸øÒ»Ï¾ßÌå²½Öè°¡
Anythingwillgiveupitssecretsifyouloveitenough!
5Â¥2011-03-05 14:42:00
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 7 ¸ö»Ø´ð

zhouxiaodi

гæ (³õÈëÎÄ̳)

²¹³äÒ»ÏÂ

gamessҲû·´Ó¦ÁË£¬Ô­À´¶¼ÊÇ¿ÉÓõġ£
2Â¥2010-05-04 21:39:48
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

yytsnake

ÖÁ×ðľ³æ (Ö°Òµ×÷¼Ò)

¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
³ýÁËGAMESS£¬ÆäËüµÄÊÇ·ñÓ¦¸ÃΪµ¥¶À×é¼þ£¿Ó¦¸Ãµ¥¶ÀÏÂÔØ£¬È»ºó°²×°µ½Ö¸¶¨Î»Öã¿
3Â¥2010-05-05 10:30:19
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

vflash

ÖÁ×ðľ³æ (ÕýʽдÊÖ)

ѹÁ¦É½´ó

¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
4Â¥2010-08-23 12:51:05
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 299Çóµ÷¼Á +3 ijijijijλ 2026-03-21 3/150 2026-03-21 13:11 by zhukairuo
[¿¼ÑÐ] 299Çóµ÷¼Á +4 shxchem 2026-03-20 6/300 2026-03-21 11:54 by Î޼ʵIJÝÔ­
[¿¼ÑÐ] ÄÜÔ´²ÄÁÏ»¯Ñ§¿ÎÌâ×éÕÐÊÕ˶ʿÑо¿Éú8-10Ãû +5 ÍÑÓ±¶ø³ö 2026-03-16 15/750 2026-03-21 10:16 by ÍÑÓ±¶ø³ö
[¿¼ÑÐ] Ò»Ö¾Ô¸ÖйúʯÓÍ´óѧ£¨»ª¶«£© ±¾¿ÆÆë³¹¤Òµ´óѧ +3 ʯÄÜΰ 2026-03-17 3/150 2026-03-21 02:22 by JourneyLucky
[¿¼ÑÐ] 278Çóµ÷¼Á +6 ÑÌ»ðÏÈÓÚ´º 2026-03-17 6/300 2026-03-21 01:57 by JourneyLucky
[¿¼ÑÐ] 317Çóµ÷¼Á +8 Éê×ÓÉêÉê 2026-03-19 13/650 2026-03-21 00:09 by Áõ¹úÉ­
[¿¼ÑÐ] ²ÄÁÏר˶ӢһÊý¶þ306 +7 z1z2z3879 2026-03-18 7/350 2026-03-20 23:48 by JourneyLucky
[¿¼ÑÐ] 308Çóµ÷¼Á +3 °¢½ã°¢½ã¼Ò°¡ 2026-03-18 3/150 2026-03-20 23:24 by JourneyLucky
[¿¼ÑÐ] Ò»Ö¾Ô¸ÄϾ©Àí¹¤´óѧ085701×ÊÔ´Óë»·¾³302·ÖÇóµ÷¼Á +4 ¿ûè÷ÎÀ¶Ó 2026-03-18 6/300 2026-03-20 23:02 by JourneyLucky
[¿¼ÑÐ] Çóµ÷¼ÁÒ»Ö¾Ô¸ÄϾ©º½¿Õº½Ìì´óѧ289·Ö +3 @taotao 2026-03-19 3/150 2026-03-20 21:34 by JourneyLucky
[¿¼ÑÐ] 08¹¤Ñ§µ÷¼Á +5 Óû§573181 2026-03-20 5/250 2026-03-20 15:47 by xia_2003
[¿¼ÑÐ] ÕÐÊÕµ÷¼Á˶ʿ +4 lidianxing 2026-03-19 12/600 2026-03-20 12:25 by lidianxing
[¿¼ÑÐ] 344Çóµ÷¼Á +6 knight344 2026-03-16 7/350 2026-03-18 20:13 by walc
[¿¼ÑÐ] ÉúÎïѧ071000 329·ÖÇóµ÷¼Á +3 ÎÒ°®ÉúÎïÉúÎﰮΠ2026-03-17 3/150 2026-03-18 10:12 by macy2011
[¿¼ÑÐ] ¿¼Ñл¯Ñ§Ñ§Ë¶µ÷¼Á£¬Ò»Ö¾Ô¸985 +4 ÕÅvvvv 2026-03-15 6/300 2026-03-17 17:15 by ruiyingmiao
[¿¼ÑÐ] 321Çóµ÷¼Á +5 ´óÃ×·¹£¡ 2026-03-15 5/250 2026-03-16 16:33 by houyaoxu
[¿¼ÑÐ] 070300»¯Ñ§Ñ§Ë¶Çóµ÷¼Á +6 Ì«Ïë½ø²½ÁË0608 2026-03-16 6/300 2026-03-16 16:13 by kykm678
[¿¼ÑÐ] ÖпÆÔº²ÄÁÏ273Çóµ÷¼Á +4 yzydy 2026-03-15 4/200 2026-03-16 15:59 by Gaodh_82
[¿¼ÑÐ] 0703»¯Ñ§µ÷¼Á 290·ÖÓпÆÑо­Àú£¬ÂÛÎÄÔÚͶ +7 ÄåÄågk 2026-03-14 7/350 2026-03-16 10:12 by houyaoxu
[¿¼ÑÐ] 288Çóµ÷¼Á +4 Ææµã0314 2026-03-14 4/200 2026-03-14 23:04 by JourneyLucky
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û